6BSM

BMP1 complexed with a reverse hydroxamate - compound 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	93
Detector technology	CCD
Collection date	2011-05-20
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	P 21 3
Unit cell lengths	101.789, 101.789, 101.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.500 - 2.330
R-factor	0.1933
Rwork	0.192
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.361
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	2.410
High resolution limit [Å]	2.330	5.020	2.330
Rmerge	0.068	0.044	0.576
Total number of observations	140111
Number of reflections	15311	1625	1502
<I/σ(I)>	12.8
Completeness [%]	100.0	99.6	100
Redundancy	9.2	8.7	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	5% PEG3350, 200 mM KSCN, 10mM spermadine