3U7J

Crystal structure of Ribose-5-phosphate isomerase A from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	C 1 2 1
Unit cell lengths	80.090, 73.470, 52.010
Unit cell angles	90.00, 128.05, 90.00

Refinement procedure

Resolution	47.860 - 2.100
R-factor	0.162
Rwork	0.160
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ks2
RMSD bond length	0.014
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.046	0.034	0.092
Number of reflections	15098	160	814
<I/σ(I)>	21.23	37.5	12.9
Completeness [%]	94.8	91.4	78.9
Redundancy	3.7		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Internal tracking number 225985D11. WIZARD 3/4 screen condition D11: 30%(w/v) PEG 5000 MME, 0.1M MES 6.5, 0.2M Ammonium sulfate. ButhA.00944.a.A1 PW33411 at 33.6 mg/ml. , VAPOR DIFFUSION, SITTING DROP, temperature 290K