5B5J

Hen egg white lysozyme with boron tracedrug UTX-97

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	78.440, 78.440, 37.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.760 - 1.260
R-factor	0.19424
Rwork	0.193
R-free	0.22334
RMSD bond length	0.027
RMSD bond angle	3.933
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.000
High resolution limit [Å]	1.260
Number of reflections	28368
<I/σ(I)>	3
Completeness [%]	93.7
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	283	0.1 M sodium acetatebuffer (pH4.7), 0.4M NaCl