4M51

Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	92.163, 75.788, 76.291
Unit cell angles	90.00, 120.99, 90.00

Refinement procedure

Resolution	33.910 - 1.080
R-factor	0.118
Rwork	0.117
R-free	0.13500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v7p
RMSD bond length	0.012
RMSD bond angle	1.614
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.100
High resolution limit [Å]	1.080	1.080
Rmerge		0.640
Number of reflections	182346
<I/σ(I)>	10.2	2.5
Completeness [%]	95.1	91.1
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1M HEPES:NAOH, PH 7.5, 0.2M LITHIUM SULFATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K