2FEA

Crystal structure of MtnX phosphatase from Bacillus Subtilis at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.019867, 0.979741
Spacegroup name	P 1 21 1
Unit cell lengths	59.013, 43.104, 109.553
Unit cell angles	90.00, 98.91, 90.00

Refinement procedure

Resolution	22.950 - 2.000
R-factor	0.16289
Rwork	0.160
R-free	0.21700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.480
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.950	22.950	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.061	0.029	0.418
Number of reflections	36411
<I/σ(I)>	8.1	21.3	1.8
Completeness [%]	98.0		97
Redundancy	3.9	3.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	0.2M NaOAc, 30.0% PEG-4000, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K