4LZA

Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	58.950, 75.914, 87.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.840
R-factor	0.2046
Rwork	0.203
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dy0
RMSD bond length	0.008
RMSD bond angle	1.324
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.803	19.803	1.940
High resolution limit [Å]	1.840	5.820	1.840
Rmerge	0.141	0.010	0.010
Total number of observations		13660	70804
Number of reflections	34721
<I/σ(I)>	10.2	9.1	0.7
Completeness [%]	99.7	92.4	100
Redundancy	14.1	12.2	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 calcium chloride, 0.1 M HEPES:NaOH, pH 7.5, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K